Home Other Building Blocks 2-Methylhippuric acid

2-Methylhippuric acid

CAS No.:
42013-20-7
Catalog Number:
AG003HPH
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$57
- +
5g
98%(HPLC)
In Stock USA
United States
$140
- +
25g
98%(HPLC)
In Stock USA
United States
$432
- +
Product Description
Catalog Number:
AG003HPH
Chemical Name:
2-Methylhippuric acid
CAS Number:
42013-20-7
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD00050991
IUPAC Name:
2-[(2-methylbenzoyl)amino]acetic acid
InChI:
InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
InChI Key:
YOEBAVRJHRCKRE-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)c1ccccc1C
EC Number:
255-622-7
UNII:
J043BCI40Z
NSC Number:
163983
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Uremic toxins inhibit transport by breast cancer resistance protein and multidrug resistance protein 4 at clinically relevant concentrations. PloS one 20110101
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Biochemical characterization of bovine plasma thrombin-activatable fibrinolysis inhibitor (TAFI). BMC biochemistry 20090101
Substituted hippurates and hippurate analogs as substrates and inhibitors of peptidylglycine alpha-hydroxylating monooxygenase (PHM). Bioorganic & medicinal chemistry 20081201
Clinical applications of urinary organic acids. Part I: Detoxification markers. Alternative medicine review : a journal of clinical therapeutic 20080901
[DNA damage assessment and biological monitoring of occupational exposure to organic solvents, 2006]. Biomedica : revista del Instituto Nacional de Salud 20080301
Quantification of urinary zwitterionic organic acids using weak-anion exchange chromatography with tandem MS detection. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20070401
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Influence of sodium benzoate on the metabolism of o-xylene in the rat. Xenobiotica; the fate of foreign compounds in biological systems 20050501
Modified method for determination of hippuric acid and methylhippuric acid in urine by gas chromatography. Journal of chromatography. B, Biomedical sciences and applications 20010210
Properties